Glycoside
GD128547
Name:
4,5-dihydroxy-2-{[2-(4-hydroxy-3-methoxyphenyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-3-yl]methoxy}-6-(hydroxymethyl)oxan-3-yl 4-hydroxybenzoateFormula:
C33H38O13Smiles:
COc1cc(C2Oc3c(OC)cc(CCCO)cc3C2COC2OC(CO)C(O)C(O)C2OC(=O)c2ccc(O)cc2)ccc1OAglycone:
COc1cc(C2Oc3c(OC)cc(CCCO)cc3C2CO)ccc1O.O=C(O)c1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.42 |
| AlogP: | 1.94 | Num_rotatable_bonds: | 12 |
| MolWt: | 642.65 | Num_heavy_atoms: | 46 |
| TPSA: | 193.83 | NumAromaticRings: | 3 |
Unique Aglycone
AD01856
Formula: C20H24O6
Smiles:
COc1cc(C2Oc3c(OC)cc(CCCO)cc3C2CO)ccc1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.4 |
| AlogP: | 2.54 | Num_rotatable_bonds: | 7 |
| MolWt: | 360.41 | Num_heavy_atoms: | 26 |
| TPSA: | 88.38 | NumAromaticRings: | 2 |
AD02360
Formula: C7H6O3
Smiles:
O=C(O)c1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.09 | Num_rotatable_bonds: | 1 |
| MolWt: | 138.12 | Num_heavy_atoms: | 10 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
